SCHEMBL537541

SCHEMBL537541

Fc1ccc2c(c1)OC1(C=C2)CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 1.00
HTR2B P41595 3/20 0.63
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3413994 0.88 HTR2C (1.00) HTR2CHTR2BDRD2HTR2A
Hydrochloric Acid SCHEMBL4512966 0.87 HTR2C (0.97) HTR2CHTR2BDRD2HTR2A
SCHEMBL34460267 0.82 HTR2C (1.00) HTR2CHTR2BOPRD1OPRK1KCNH2
SCHEMBL468604 0.78 HTR2C (1.00) HTR2CHTR2BOPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL3226116 0.76 HTR2C (0.97) HTR2CHTR2BOPRD1OPRK1KCNH2
Butane SCHEMBL8573679 0.75 HTR2C (0.85) HTR2CHTR2BOPRD1OPRK1KCNH2
SCHEMBL31235894 0.74 HTR2C (0.81) HTR2CHTR2BDRD2HTR2AOPRD1
SCHEMBL20270447 0.74 HTR2C (0.81) HTR2CHTR2BDRD2HTR2AOPRD1
SCHEMBL3411611 0.73 HTR2C (0.69) HTR2CHTR2BOPRD1OPRK1KCNH2
SCHEMBL23957147 0.72 HTR2C (0.73) HTR2CHTR2BDRD2HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414366-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE Novartis AG (CH) 2012-02-08 EP disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 HTR2C 3206/4885HTR2B 4016/4885DRD2 2902/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.